CID 443288
4-glutathionyl cyclophosphamide
Structural Information
- Molecular Formula
- C17H30Cl2N5O8PS
- SMILES
- C1COP(=O)(NC1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N(CCCl)CCCl
- InChI
- InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)
- InChIKey
- CXEDBYAXQXFDHD-UHFFFAOYSA-N
- Compound name
- 2-amino-5-[[3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 566.10024 | 206.4 |
[M+Na]+ | 588.08218 | 202.8 |
[M-H]- | 564.08568 | 203.0 |
[M+NH4]+ | 583.12678 | 228.1 |
[M+K]+ | 604.05612 | 202.6 |
[M+H-H2O]+ | 548.09022 | 200.4 |
[M+HCOO]- | 610.09116 | 221.3 |
[M+CH3COO]- | 624.10681 | 251.8 |
[M+Na-2H]- | 586.06763 | 200.8 |
[M]+ | 565.09241 | 209.3 |
[M]- | 565.09351 | 209.3 |
Literature stripe
Patent stripe
No patent data available for this compound.